BIM-0016266.P001
TL;DR: BIM-0016266.P001 (CAS 137303-44-7) is a chemical compound with molecular formula C21H19BrN2OS and molecular weight 426.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-prop-2-enylsulfanyl-6,8-dihydroquinoline-3-carbonitrile
Also Known As: BIM-0016266.P001, AE-848/11905250, 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-prop-2-enylsulfanyl-6,8-dihydroquinoline-3-carbonitrile, 2-(allylsulfanyl)-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-(allylthio)-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C21H19BrN2OS |
|---|---|
| Molecular Weight | 426.04 g/mol |
| LogP | 5.81598 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.04016 |
| Heavy Atoms | 26 |
| Complexity | 926.50775 |
Chemical Identifiers
| CAS Number | 137303-44-7 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC=C)C#N)C3=CC=C(C=C3)Br)C |
Product Overview
BIM-0016266.P001 (CAS 137303-44-7), with molecular formula C21H19BrN2OS and molecular weight 426.04 g/mol. IUPAC: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-prop-2-enylsulfanyl-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of BIM-0016266.P001
Property Insights of BIM-0016266.P001
The XLogP value of 5.81598 indicates that BIM-0016266.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, BIM-0016266.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0016266.P001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0016266.P001?
The CAS number of BIM-0016266.P001 is 137303-44-7.
What is the molecular formula of BIM-0016266.P001?
The molecular formula of BIM-0016266.P001 is C21H19BrN2OS.
What is the molecular weight of BIM-0016266.P001?
The molecular weight of BIM-0016266.P001 is 426.04 g/mol.
Where can I buy BIM-0016266.P001?
You can request a quote for BIM-0016266.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0016266.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0016266.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.